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‣ A machine learning and chemometrics assisted interpretation of spectroscopic data : a NMR-based metabolomics platform for the assessment of Brazilian propolis

Maraschin, Marcelo; Somensi-Zeggio, A.; Oliveira, S. K.; Kuhnen, S.; Tomazzoli, M. M.; Zeri, A. C. M.; Carreira, Rafael; Rocha, Miguel
Fonte: Springer-Verlag; Springer Verlag Publicador: Springer-Verlag; Springer Verlag
Tipo: Artigo de Revista Científica
Publicado em //2012 Português
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In this work, a metabolomics dataset from 1H nuclear magnetic resonance spectroscopy of Brazilian propolis was analyzed using machine learning algorithms, including feature selection and classification methods. Partial least square-discriminant analysis (PLS-DA), random forest (RF), and wrapper methods combining decision trees and rules with evolutionary algorithms (EA) showed to be complementary approaches, allowing to obtain relevant information as to the importance of a given set of features, mostly related to the structural fingerprint of aliphatic and aromatic compounds typically found in propolis, e.g., fatty acids and phenolic compounds. The feature selection and decision tree-based algorithms used appear to be suitable tools for building classification models for the Brazilian propolis metabolomics regarding its geographic origin, with consistency, high accuracy, and avoiding redundant information as to the metabolic signature of relevant compounds.

‣ Metabolomics combined with chemometric tools (PCA, HCA, PLS-DA and SVM) for screening cassava (Manihot esculenta Crantz) roots during postharvest physiological deterioration

Uarrota, Virgílio Gavicho; Moresco, Rodolfo; Coelho, Bianca; Nunes, Eduardo da Costa; Peruch, Luiz Augusto Martins; Neubert, Enilto de Oliveira; Rocha, Miguel; Maraschin, Marcelo
Fonte: Elsevier BV Publicador: Elsevier BV
Tipo: Artigo de Revista Científica
Publicado em 01/01/2014 Português
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Cassava roots are an important source of dietary and industrial carbohydrates and suffer markedly from postharvest physiological deterioration (PPD). This paper deals with metabolomics combined with chemometric tools for screening the chemical and enzymatic composition in several genotypes of cassava roots during PPD. Metabolome analyses showed increases in carotenoids, flavonoids, anthocyanins, phenolics, reactive scavenging species, and enzymes (superoxide dismutase family, hydrogen peroxide, and catalase) until 3–5 days postharvest. PPD correlated negatively with phenolics and carotenoids and positively with anthocyanins and flavonoids. Chemometric tools such as principal component analysis, partial least squares discriminant analysis, and support vector machines discriminated well cassava samples and enabled a good prediction of samples. Hierarchical clustering analyses grouped samples according to their levels of PPD and chemical compositions.

‣ Development of an integrated computational platform for metabolomics data analysis and knowledge extraction

Costa, Christopher Borges
Fonte: Universidade do Minho Publicador: Universidade do Minho
Tipo: Dissertação de Mestrado
Publicado em 18/12/2014 Português
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Dissertação de mestrado em Computing Engineering; In the last few years, biological and biomedical research has been generating a large amount of quantitative data, given the surge of high-throughput techniques that are able to quantify different types of molecules in the cell. While transcriptomics and proteomics, which measure gene expression and amounts of proteins respectively, are the most mature, metabolomics, the quantification of small compounds, has been emerging in the last years as an advantageous alternative in many applications. As it happens with other omics data, metabolomics brings important challenges regarding the capability of extracting relevant knowledge from typically large amounts of data. To respond to these challenges, an integrated computational platform for metabolomics data analysis and knowledge extraction was created to facilitate the use of several methods of visualization, data analysis and data mining. In the first stage of the project, a state of the art analysis was conducted to assess the existing methods and computational tools in the field and what was missing or was difficult to use for a common user without computational expertise. This step helped to figure out which strategies to adopt and the main functionalities which were important to develop in the software. As a supporting framework...

‣ DJ-1 mutants metabolomics: finding Parkinson’s disease biomarkers; Alterações metabolómicas induzidas pela DJ-1 e seus mutantes

Sabala, Lúcia Isabel Paisano
Fonte: Universidade de Aveiro Publicador: Universidade de Aveiro
Tipo: Dissertação de Mestrado
Português
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Parkinson’s disease (PD) is the second most common neurodegenerative disorder characterized by massive loss of dopaminergic neurons. Despite of decades of research the cause of sporadic PD is still unknown. PD is a complex multifactorial disorder, which probably results from an elaborate interplay of mostly unknown factors: several genes, modifying effects by susceptibility alleles, environmental exposures and gene-environment interactions, and their direct impact on the developing and aging brain. The discovery of disease-related genes has contributed substantially to the understanding of the molecular mechanisms involved in PD pathogenesis. It is known that a cascade of events leading to cell death, including the oxidative stress, contributes for the pathogenesis of PD. Among several genes mutated in familial PD, only DJ-1, an autosomal recessive gene causative of familial early onset PD, plays a direct role in oxidative defense mechanisms of substantia nigra pars compacta. The study of DJ-1 biology can provide important clues to altered cellular pathways in PD. Thus, understanding how the causative DJ-1 mutations interfere with the structure and function of DJ-1 protein is of critical importance. Mutations in DJ-1 gene may lead to loss of neuroprotective function of the protein. In this way it may occur a homeostatic imbalance in cell system and metabolites...

‣ Pregnancy and newborns disorders followed by urine metabolomics; Doenças da gravidez e do bebé estudadas por metabolómica de urina

Diaz, Sílvia de Oliveira
Fonte: Universidade de Aveiro Publicador: Universidade de Aveiro
Tipo: Tese de Doutorado
Português
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Chapter 1 introduces the scope of the work by identifying the clinically relevant prenatal disorders and presently available diagnostic methods. The methodology followed in this work is presented, along with a brief account of the principles of the analytical and statistical tools employed. A thorough description of the state of the art of metabolomics in prenatal research concludes the chapter, highlighting the merit of this novel strategy to identify robust disease biomarkers. The scarce use of maternal and newborn urine in previous reports enlightens the relevance of this work. Chapter 2 presents a description of all the experimental details involved in the work performed, comprising sampling, sample collection and preparation issues, data acquisition protocols and data analysis procedures. The proton Nuclear Magnetic Resonance (NMR) characterization of maternal urine composition in healthy pregnancies is presented in Chapter 3. The urinary metabolic profile characteristic of each pregnancy trimester was defined and a 21-metabolite signature found descriptive of the metabolic adaptations occurring throughout pregnancy. 8 metabolites were found, for the first time to our knowledge, to vary in connection to pregnancy, while known metabolic effects were confirmed. This chapter includes a study of the effects of non-fasting (used in this work) as a possible confounder. Chapter 4 describes the metabolomic study of 2nd trimester maternal urine for the diagnosis of fetal disorders and prediction of later-developing complications. This was achieved by applying a novel variable selection method developed in the context of this work. It was found that fetal malformations (FM) (and...

‣ Evaluation of the matabolic response of osteosarcoma cells to conventional and new anticancer drugs by NMR metabolomics; Estudo da resposta metabólica de células de osteossarcoma a agentes anticancerígenos convencionais e novos por metabolómica de RMN

Lamego, Inês Dias
Fonte: Universidade de Aveiro Publicador: Universidade de Aveiro
Tipo: Tese de Doutorado
Português
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The main scope of this work was to evaluate the metabolic effects of anticancer agents (three conventional and one new) in osteosarcoma (OS) cells and osteoblasts, by measuring alterations in the metabolic profile of cells by nuclear magnetic resonance (NMR) spectroscopy metabolomics. Chapter 1 gives a theoretical framework of this work, beginning with the main metabolic characteristics that globally describe cancer as well as the families and mechanisms of action of drugs used in chemotherapy. The drugs used nowadays to treat OS are also presented, together with the Palladium(II) complex with spermine, Pd2Spm, potentially active against cancer. Then, the global strategy for cell metabolomics is explained and the state of the art of metabolomic studies that analyze the effect of anticancer agents in cells is presented. In Chapter 2, the fundamentals of the analytical techniques used in this work, namely for biological assays, NMR spectroscopy and multivariate and statistical analysis of the results are described. A detailed description of the experimental procedures adopted throughout this work is given in Chapter 3. The biological and analytical reproducibility of the metabolic profile of MG-63 cells by high resolution magic angle spinning (HRMAS) NMR is evaluated in Chapter 4. The metabolic impact of several factors (cellular integrity...

‣ Metabolomics in the fight against malaria

Salinas,Jorge L; Kissinger,Jessica C; Jones,Dean P; Galinski,Mary R
Fonte: Instituto Oswaldo Cruz, Ministério da Saúde Publicador: Instituto Oswaldo Cruz, Ministério da Saúde
Tipo: Artigo de Revista Científica Formato: text/html
Publicado em 01/08/2014 Português
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Metabolomics uses high-resolution mass spectrometry to provide a chemical fingerprint of thousands of metabolites present in cells, tissues or body fluids. Such metabolic phenotyping has been successfully used to study various biologic processes and disease states. High-resolution metabolomics can shed new light on the intricacies of host-parasite interactions in each stage of the Plasmodium life cycle and the downstream ramifications on the host’s metabolism, pathogenesis and disease. Such data can become integrated with other large datasets generated using top-down systems biology approaches and be utilised by computational biologists to develop and enhance models of malaria pathogenesis relevant for identifying new drug targets or intervention strategies. Here, we focus on the promise of metabolomics to complement systems biology approaches in the quest for novel interventions in the fight against malaria. We introduce the Malaria Host-Pathogen Interaction Center (MaHPIC), a new systems biology research coalition. A primary goal of the MaHPIC is to generate systems biology datasets relating to human and non-human primate (NHP) malaria parasites and their hosts making these openly available from an online relational database. Metabolomic data from NHP infections and clinical malaria infections from around the world will comprise a unique global resource.

‣ PlantMetabolomics.org: A Web Portal for Plant Metabolomics Experiments1[C][W][OA]

Bais, Preeti; Moon, Stephanie M.; He, Kun; Leitao, Ricardo; Dreher, Kate; Walk, Tom; Sucaet, Yves; Barkan, Lenore; Wohlgemuth, Gert; Roth, Mary R.; Wurtele, Eve Syrkin; Dixon, Philip; Fiehn, Oliver; Lange, B. Markus; Shulaev, Vladimir; Sumner, Lloyd W.; W
Fonte: American Society of Plant Biologists Publicador: American Society of Plant Biologists
Tipo: Artigo de Revista Científica
Português
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PlantMetabolomics.org (PM) is a web portal and database for exploring, visualizing, and downloading plant metabolomics data. Widespread public access to well-annotated metabolomics datasets is essential for establishing metabolomics as a functional genomics tool. PM integrates metabolomics data generated from different analytical platforms from multiple laboratories along with the key visualization tools such as ratio and error plots. Visualization tools can quickly show how one condition compares to another and which analytical platforms show the largest changes. The database tries to capture a complete annotation of the experiment metadata along with the metabolite abundance databased on the evolving Metabolomics Standards Initiative. PM can be used as a platform for deriving hypotheses by enabling metabolomic comparisons between genetically unique Arabidopsis (Arabidopsis thaliana) populations subjected to different environmental conditions. Each metabolite is linked to relevant experimental data and information from various annotation databases. The portal also provides detailed protocols and tutorials on conducting plant metabolomics experiments to promote metabolomics in the community. PM currently houses Arabidopsis metabolomics data generated by a consortium of laboratories utilizing metabolomics to help elucidate the functions of uncharacterized genes. PM is publicly available at http://www.plantmetabolomics.org.

‣ Standard reporting requirements for biological samples in metabolomics experiments: microbial and in vitro biology experiments

van der Werf, Mariët J.; Takors, Ralf; Smedsgaard, Jørn; Nielsen, Jens; Ferenci, Tom; Portais, Jean Charles; Wittmann, Christoph; Hooks, Mark; Tomassini, Alberta; Oldiges, Marco; Fostel, Jennifer; Sauer, Uwe
Fonte: Springer US Publicador: Springer US
Tipo: Artigo de Revista Científica
Português
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With the increasing use of metabolomics as a means to study a large number of different biological research questions, there is a need for a minimal set of reporting standards that allow the scientific community to evaluate, understand, repeat, compare and re-investigate metabolomics studies. Here we propose, a first draft of minimal requirements to effectively describe the biological context of metabolomics studies that involve microbial or in vitro biological subjects. This recommendation has been produced by the microbiology and in vitro biology working subgroup of the Metabolomics Standards Initiative in collaboration with the yeast systems biology network as part of a wider standardization initiative led by the Metabolomics Society. Microbial and in vitro biology metabolomics is defined by this sub-working group as studies with any cell or organism that require a defined external medium to facilitate growth and propagation. Both a minimal set and a best practice set of reporting standards for metabolomics experiments have been defined. The minimal set of reporting standards for microbial or in vitro biology metabolomics experiments includes those factors that are specific for metabolomics experiments and that critically determine the outcome of the experiments. The best practice set of reporting standards contains both the factors that are specific for metabolomics experiments and general aspects that critically determine the outcome of any microbial or in vitro biological experiment.

‣ Mass-Spectrometry-Based Metabolomics: Limitations and Recommendations for Future Progress with Particular Focus on Nutrition Research

Scalbert, Augustin; Brennan, Lorraine; Fiehn, Oliver; Hankemeier, Thomas; van Ommen, Ben; Pujos-Guillot, Estelle; Verheij, Elwin; Wishart, David; Wopereis, Suzan; Kristal, Bruce S.
Fonte: Springer Verlag Publicador: Springer Verlag
Tipo: Artigo de Revista Científica
Português
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Mass spectrometry (MS) techniques, because of their sensitivity and selectivity, have become methods of choice to characterize the human metabolome and MS-based metabolomics is increasingly used to characterize the complex metabolic effects of nutrients or foods. However progress is still hampered by many unsolved problems and most notably the lack of well established and standardized methods or procedures, and the difficulties still met in the identification of the metabolites influenced by a given nutritional intervention. The purpose of this paper is to review the main obstacles limiting progress and to make recommendations to overcome them. Propositions are made to improve the mode of collection and preparation of biological samples, the coverage and quality of mass spectrometry analyses, the extraction and exploitation of the raw data, the identification of the metabolites and the biological interpretation of the results.

‣ Metabolomics Strategies for Discovery of Biologically Active or Novel Metabolites

Vinayavekhin, Nawaporn
Fonte: Harvard University Publicador: Harvard University
Tipo: Thesis or Dissertation
Português
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Along with genes and proteins, metabolites play important roles in sustaining life. There remains much to be learned about the in vivo roles of metabolites. Metabolomics is a comparative tool to study global metabolite levels in samples under various conditions. This dissertation describes the development and application of metabolomics strategies for discovery of biologically active or novel metabolites with priori knowledge about genes, proteins, or phenotypes. The power of metabolomics for discovery of novel metabolites from genes is demonstrated through the work with the pyochelin (pch) gene cluster. Comparison of the extracellular metabolomes of pch gene cluster mutants to the wild-type Pseudomonas aeruginosa (strain PA14) identified 198 ions regulated by the pch genes. In addition to known metabolites, a pair of novel metabolites were characterized as 2-alkyl-4,5-dihydrothiazole-4-carboxylates (ATCs). Subsequent assays revealed that ATCs bind iron and that their production is regulated by iron levels and dependent on pchE gene in the pch gene cluster. Metabolomics can also facilitate discovery of active metabolites from proteins, as shown in the work with orphan nuclear receptor Nur77. We applied a metabolomics platform for detected protein-metabolite interactions to identify lipids that bind to Nur77. Using this approach...

‣ Plasma Metabolomics in Human Pulmonary Tuberculosis Disease: A Pilot Study

Frediani, Jennifer K.; Jones, Dean P.; Tukvadze, Nestan; Uppal, Karan; Sanikidze, Eka; Kipiani, Maia; Tran, ViLinh T.; Hebbar, Gautam; Walker, Douglas I.; Kempker, Russell R.; Kurani, Shaheen S.; Colas, Romain A.; Dalli, Jesmond; Tangpricha, Vin; Serhan,
Fonte: Public Library of Science Publicador: Public Library of Science
Tipo: Artigo de Revista Científica
Português
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We aimed to characterize metabolites during tuberculosis (TB) disease and identify new pathophysiologic pathways involved in infection as well as biomarkers of TB onset, progression and resolution. Such data may inform development of new anti-tuberculosis drugs. Plasma samples from adults with newly diagnosed pulmonary TB disease and their matched, asymptomatic, sputum culture-negative household contacts were analyzed using liquid chromatography high-resolution mass spectrometry (LC-MS) to identify metabolites. Statistical and bioinformatics methods were used to select accurate mass/charge (m/z) ions that were significantly different between the two groups at a false discovery rate (FDR) of q<0.05. Two-way hierarchical cluster analysis (HCA) was used to identify clusters of ions contributing to separation of cases and controls, and metabolomics databases were used to match these ions to known metabolites. Identity of specific D-series resolvins, glutamate and Mycobacterium tuberculosis (Mtb)-derived trehalose-6-mycolate was confirmed using LC-MS/MS analysis. Over 23,000 metabolites were detected in untargeted metabolomic analysis and 61 metabolites were significantly different between the two groups. HCA revealed 8 metabolite clusters containing metabolites largely upregulated in patients with TB disease...

‣ Design and Implementation of Efficient Workflows for Computational Metabolomics

Kenar, Erhan
Fonte: Universität Tübingen Publicador: Universität Tübingen
Tipo: Dissertação
Português
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In recent years, metabolomics has become a powerful approach to systematically study alterations in metabolism induced by disease, nutrition, and environmental changes. Liquid chromatography-mass spectrometry (LC-MS) has been established as the main analytical platform since it is sensitive enough to capture metabolomes’ high complexity and chemical diversity and allows for processing biological samples in a high-throughput manner. However, rapid evolvement of mass spectrometry (MS) technology resulted in enormous data volumes and complexity and with that gave rise to a computational bottleneck. Computational metabolomics strives to develop efficient algorithms and flexible workflows to meet the data analysis needs of high-throughput metabolomics experiments. In this work, we addressed the three key problems of computational metabolomics: quantification of metabolites, their identification, and statistical methods to reveal discriminatory metabolic patterns and novel biomarkers. Our main design goal was to develop robust and comprehensive computational workflows to integrate solutions to these key problems consistently instead of addressing them separately. We developed a novel algorithm for the robust detection and quantification of metabolite features in LC-MS data. It extracts chromatographic profiles with high sensitivity and provides deisotoping by a novel support vector machine (SVM)-based classifier. Our algorithm was validated both on real-world and simulated LC-MS benchmark datasets and showed an excellent performance when compared to existing solutions. In order to identify unknown features...

‣ Healthy pregnancy and prenatal disorders followed by blood plasma metabolomics; Gravidez saudável e doenças pré-natais estudadas por metabolómica de plasma sanguíneo

Pinto, Joana Isabel Monteiro
Fonte: Universidade de Aveiro Publicador: Universidade de Aveiro
Tipo: Tese de Doutorado
Português
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The work presented in this thesis aimed to investigate the impact of healthy pregnancy and selected prenatal disorders on the metabolome and lipidome of maternal blood plasma, in order to define new potential biomarkers for non-invasive prediction and diagnosis. Chapter 1 describes the present status and challenges of the clinically relevant prenatal disorders, along with a presentation of the metabolomics strategy applied and the state of the art of metabolomics in prenatal research. All experimental details are described in Chapter 2, comprising sample metadata, sample collection and preparation, data acquisition protocols and data analysis procedures. The plasma metabolome and lipidome viewed by 1D and 2D NMR experiments are presented in Chapter 3. In this chapter, the use of Multiple Quantum NMR spectroscopy was explored, for the first time, for assignment of complex lipid mixtures. Chapter 4 contributes to filling in some existing gaps regarding human plasma degradability during handling and storage, as well as the importance of fasting conditions at collection. The use of heparin collection tubes resulted in no interference of the polysaccharide and full conservation of spectral information, while EDTA tubes produced a number of interfering signals from free and Ca2+/Mg2+ complexed EDTA...

‣ Tecnicas de RMN de 'ANTIPOT. 1H? aplicadas a metabolomica de Theobroma cacao e as interações proteinas - ligantes; 1H NMR techniques applied to Theobroma cacao metabolomics and to protein-ligands interactions

Lucas Gelain Martins
Fonte: Biblioteca Digital da Unicamp Publicador: Biblioteca Digital da Unicamp
Tipo: Dissertação de Mestrado Formato: application/pdf
Publicado em 20/02/2009 Português
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Técnicas de RMN de H foram aplicadas no estudo de metabolômica de Theobroma cacao e interações proteínas ? ligantes. Esses dois tópicos são reportados em dois capítulos. O primeiro descreve a análise quantitativa por RMN de H de 8 metabolitos de Theobroma cacao endógenos ou produzidos durante a fermentação de 10 diferentes variedades resistentes ao fungo Moniliophthora perniciosa. Os espectros foram obtidos de extratos aquosos saturando o sinal da água com pressaturação. Os metabólitos monitorados foram: glicose, sacarose, frutose, etanol, cafeínas e os ácidos acético, lático e succínico. O teor dos metabólitos presentes em 7 dessas variedades são similares àqueles de T. cacao comum e análise sensorial selecionou aquelas com maior teor de cafeína como as melhores. O segundo capítulo descreve as interações acetilcolinesterase/alcalóides de Amaryllidaceae e proteína de membrana bacteriana/fosfomicina, com os mapas de epitopo de interação dos ligantes com as macromoléculas determinados por RMN de H ? STD (Saturation Transfer Difference). O mapa de epitopo para acetilcolinesterase/fisostigmina foi confirmado por cálculos de ?doking? molecular. A constante de dissociação aparente da fisostigmina com acetilcolinesterase foi obtida através das medidas de T1 seletivo. Interação entre células integras de Escherichia coli CCT 5050...

‣ COordination of Standards in MetabOlomicS (COSMOS): facilitating integrated metabolomics data access

Salek, Reza M.; Neumann, Steffen; Schober, Daniel; Hummel, Jan; Billiau, Kenny; Kopka, Joachim; Correa, Elon; Reijmers, Theo; Rosato, Antonio; Tenori, Leonardo; Turano, Paola; Marin, Silvia; Deborde, Catherine; Jacob, Daniel; Rolin, Dominique; Dartigues,
Fonte: Springer US Publicador: Springer US
Tipo: Artigo de Revista Científica
Português
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Metabolomics has become a crucial phenotyping technique in a range of research fields including medicine, the life sciences, biotechnology and the environmental sciences. This necessitates the transfer of experimental information between research groups, as well as potentially to publishers and funders. After the initial efforts of the metabolomics standards initiative, minimum reporting standards were proposed which included the concepts for metabolomics databases. Built by the community, standards and infrastructure for metabolomics are still needed to allow storage, exchange, comparison and re-utilization of metabolomics data. The Framework Programme 7 EU Initiative ‘coordination of standards in metabolomics’ (COSMOS) is developing a robust data infrastructure and exchange standards for metabolomics data and metadata. This is to support workflows for a broad range of metabolomics applications within the European metabolomics community and the wider metabolomics and biomedical communities’ participation. Here we announce our concepts and efforts asking for re-engagement of the metabolomics community, academics and industry, journal publishers, software and hardware vendors, as well as those interested in standardisation worldwide (addressing missing metabolomics ontologies...

‣ Metabolomics as a tool for the comprehensive understanding of fermented and functional foods with lactic acid bacteria

Mozzi, Fernanda Beatriz; Ortiz, María Eugenia; Bleckwedel, Juliana; de Vuyst, Luc; Pescuma, Micaela
Fonte: Elsevier Science Publicador: Elsevier Science
Tipo: info:eu-repo/semantics/article; info:ar-repo/semantics/artículo; info:eu-repo/semantics/publishedVersion Formato: application/pdf
Português
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Metabolomics, also called metabonomics or metabolic profiling, deals with the simultaneous determination and quantitative analysis of intracellular metabolites or low-molecular-mass molecules. The metabolomics field, which has begun a little more than ten years ago thanks to the development of technologies such as nuclear magnetic resonance (NMR) and mass spectrometry (MS), has been successfully applied in different areas of food science. This review deals with the recent achievements of metabolomics in the comprehensive analysis of fermented foods predominated by lactic acid bacteria, the fermentative capacity of these microorganisms and the beneficial effects of functional foods and probiotics.; Fil: Mozzi, Fernanda Beatriz. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Tucumán. Centro de Referencia Para Lactobacilos (i); Argentina;; Fil: Ortiz, María Eugenia. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Tucumán. Centro de Referencia Para Lactobacilos (i); Argentina;; Fil: Bleckwedel, Juliana. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Tucumán. Centro de Referencia Para Lactobacilos (i); Argentina;; Fil: de Vuyst...

‣ Wine science in the metabolomics era; Wine science in the metabolomic era: wine-omics research

Alañón, M.E.; Pérez Coello, M.S.; Marina Alegre, María Luisa
Fonte: Elsevier Publicador: Elsevier
Tipo: info:eu-repo/semantics/article; info:eu-repo/semantics/acceptedVersion Formato: application/pdf
Português
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Las figuras y tablas que contiene el documento se localizan al final del mismo.; Metabolomics approaches have proved valuable in a wide range of areas of knowledge. This review covers the latest advances in the past five years concerning wine chemistry, thanks to the development of metabolomics approaches. The combination of powerful, robust analytical techniques (NMR, LC-MS, GC-MS, FTICR, UHPLC, and CE) provides high-dimensional data that require advanced chemometric tools in order to handle these datasets appropriately and to assess the chemical composition holistically. Metabolomics studies offer the analysis of as many metabolites as possible to carry out unbiased discrimination and/or classification according to variety, origin, vintage and quality and to enable integration of all time-related metabolic changes of wine history throughout its elaborate processing to assure wine authentication and to preclude adulteration.; The authors are grateful to the Spanish Ministry of Economy and Competitiveness (MINECO) (Project AGL2012-04172-C02-01) and the Comunidad Autónoma of Madrid (Spain) and European funding from FEDER program (Project S2013/ABI-3028, AVANSECAL-CM) for financial support. M.E. Alañón would like to thank Fundación Alfonso Martín Escudero for the post-doctoral fellowship awarded

‣ Metabolomics and stoichiometry adapted to the study of environmental impacts on plants

Gargallo Garriga, Albert; Parella Coll, Teodor
Fonte: [Barcelona] : Universitat Autònoma de Barcelona, Publicador: [Barcelona] : Universitat Autònoma de Barcelona,
Tipo: Tesis i dissertacions electròniques; info:eu-repo/semantics/doctoralThesis; info:eu-repo/semantics/publishedVersion Formato: application/pdf
Publicado em //2015 Português
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La metabolòmica ha permès importants avanços en les ciències biològiques. Un nombre creixent d'estudis ecològics han aplicat un enfoc metabolòmic per respondre a preguntes ecològiques (ecometabolòmica) durant els últims anys. El treball desenvolupat al llarg d'aquesta tesi doctoral significa un pas més en el camp de la ecometabolòmica. En el primer capítol d'aquesta tesi doctoral, hem fet l'adaptació del protocol per dur a terme la metabolòmica en estudis ecològics. En ell es descriuen en detall els procediments per al camp i de laboratori per realitzar anàlisis de metabolòmica mitjançant la Ressonància Magnètica Nuclear (RMN) especroscòpica i cromatografia líquida amb espectrometria de masses (HPLC-MS), juntament amb l'anàlisi de l'estequiometria. Aquesta millora ens ha permès combinar l'estudi d'estequiometria ecològica i metabolòmica en un sol protocol i donar una visió general del que està passant amb els organismes. En el segon i tercer capítols s'ha aplicat el protocol sobre la part aèria i arrels en l'estudi dels efectes de factors relacionats amb el canvi climàtic (sequera, escalfament, els factors de risc). Els resultats confirmen la variació metabolòmica entre la part aèria i les arrels...

‣ Abordagem metabolômica no estudo da exposição gestacional à poluição atmosférica; Metabolomics approach to the study of gestational exposure to air pollution

Faccio, Andréa Tedesco
Fonte: Biblioteca Digitais de Teses e Dissertações da USP Publicador: Biblioteca Digitais de Teses e Dissertações da USP
Tipo: Dissertação de Mestrado Formato: application/pdf
Publicado em 17/09/2015 Português
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Há fortes evidências dos efeitos negativos da exposição gestacional a poluentes atmosféricos. No entanto, mecanismos de atuação de poluentes não são bem compreendidos. Alterações fisiológicas anômalas na progenitora, durante o período de gravidez, podem causar mudanças permanentes na prole, que podem desencadear futuras doenças na vida adulta. Portanto, o estudo dessas alterações maternas é importante. A metabolômica é definida como a análise global do metaboloma de um organismo em experimentos comparativos, com o objetivo de observar mudanças relativas da abundância dos metabólitos, o aparecimento ou desaparecimento de metabólitos, e pode fornecer uma melhor compreensão dos mecanismos de funcionamento celular dos organismos a nível molecular. Nesse trabalho, um estudo experimental de exposição gestacional materna, ao material particulado fino (MP2,5), foi realizado, para avaliar os efeitos dessa exposição no metabolismo, por meio da análise metabolômica global da urina de camundongos fêmeas progenitoras expostas ao MP2,5 (grupo teste) ou a ar filtrado (grupo controle) durante a gestação. Um método cromatográfico e de preparo de amostra para metabolômica urinária por HILIC-MS foram otimizados. Para a otimização da condição cromatográfica...